[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O5/c1-2-3-7-18-8-10-19(11-9-18)23(27)17-31-24(28)20-12-13-21(22(16-20)26(29)30)25-14-5-4-6-15-25/h8-13,16H,2-7,14-15,17H2,1H3